22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

C170H116N6O2 — CID 158220015

IUPAC22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5ccc6c(c5cc43)C(C)(C)c3ccccc3-6)cc21.CC1(C)c2ccccc2-c2ccc3cc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc3c21.CC1(C)c2ccccc2-c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c21.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccc7oc8ccccc8c7c6cc4n5-c4ccccc4)cc3c3cc4ccc5oc6ccccc6c5c4cc32)cc1
InChIInChI=1S/C56H32N2O2.C43H30N2.C40H31N.C31H23N/c1-3-11-37(12-4-1)57-47-23-19-33(27-43(47)45-29-35-21-25-53-55(41(35)31-49(45)57)39-15-7-9-17-51(39)59-53)34-20-24-48-44(28-34)46-30-36-22-26-54-56(40-16-8-10-18-52(40)60-54)42(36)32-50(46)58(48)38-13-5-2-6-14-38;1-43(2)37-17-9-6-14-30(37)33-22-20-27-24-35-31-15-7-11-19-39(31)45(41(35)26-34(27)42(33)43)29-21-23-40-36(25-29)32-16-8-10-18-38(32)44(40)28-12-4-3-5-13-28;1-39(2)33-14-8-5-11-26(33)28-20-18-25(22-35(28)39)41-36-16-10-7-13-29(36)32-21-24-17-19-30-27-12-6-9-15-34(27)40(3,4)38(30)31(24)23-37(32)41;1-31(2)27-14-8-6-12-22(27)24-17-16-20-18-26-23-13-7-9-15-28(23)32(21-10-4-3-5-11-21)29(26)19-25(20)30(24)31/h1-32H;3-26H,1-2H3;5-23H,1-4H3;3-19H,1-2H3
InChIKeyGDDACZBNZBHOEL-UHFFFAOYSA-N
MW2274.84 g/mol
LogP45.79
Rot. Bonds7

About 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (PubChem CID 158220015) has the molecular formula C170H116N6O2 and a molecular weight of 2274.84 g/mol. Its IUPAC name is 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

Compound Name22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
PubChem CID158220015
Molecular FormulaC170H116N6O2
Molecular Weight2274.84 g/mol
Exact Mass2272.92
IUPAC Name22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5ccc6c(c5cc43)C(C)(C)c3ccccc3-6)cc21.CC1(C)c2ccccc2-c2ccc3cc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc3c21.CC1(C)c2ccccc2-c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c21.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccc7oc8ccccc8c7c6cc4n5-c4ccccc4)cc3c3cc4ccc5oc6ccccc6c5c4cc32)cc1
InChIInChI=1S/C56H32N2O2.C43H30N2.C40H31N.C31H23N/c1-3-11-37(12-4-1)57-47-23-19-33(27-43(47)45-29-35-21-25-53-55(41(35)31-49(45)57)39-15-7-9-17-51(39)59-53)34-20-24-48-44(28-34)46-30-36-22-26-54-56(40-16-8-10-18-52(40)60-54)42(36)32-50(46)58(48)38-13-5-2-6-14-38;1-43(2)37-17-9-6-14-30(37)33-22-20-27-24-35-31-15-7-11-19-39(31)45(41(35)26-34(27)42(33)43)29-21-23-40-36(25-29)32-16-8-10-18-38(32)44(40)28-12-4-3-5-13-28;1-39(2)33-14-8-5-11-26(33)28-20-18-25(22-35(28)39)41-36-16-10-7-13-29(36)32-21-24-17-19-30-27-12-6-9-15-34(27)40(3,4)38(30)31(24)23-37(32)41;1-31(2)27-14-8-6-12-22(27)24-17-16-20-18-26-23-13-7-9-15-28(23)32(21-10-4-3-5-11-21)29(26)19-25(20)30(24)31/h1-32H;3-26H,1-2H3;5-23H,1-4H3;3-19H,1-2H3
InChIKeyGDDACZBNZBHOEL-UHFFFAOYSA-N
XLogP45.79
TPSA55.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002274.84
LogP ≤ 545.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene with MolForge

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Related Compounds

9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 118099028
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-phenanthren-2-yl-6-(4-phenylphenyl)carbazole
CID 118098873
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189

Frequently Asked Questions

What is the IUPAC name of 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The IUPAC name of 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (CID 158220015) is 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.
What is the SMILES notation for 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The canonical SMILES for 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5ccc6c(c5cc43)C(C)(C)c3ccccc3-6)cc21.CC1(C)c2ccccc2-c2ccc3cc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc3c21.CC1(C)c2ccccc2-c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c21.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccc7oc8ccccc8c7c6cc4n5-c4ccccc4)cc3c3cc4ccc5oc6ccccc6c5c4cc32)cc1.
What is the InChIKey of 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The InChIKey is GDDACZBNZBHOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N2O2.C43H30N2.C40H31N.C31H23N/c1-3-11-37(12-4-1)57-47-23-19-33(27-43(47)45-29-35-21-25-53-55(41(35)31-49(45)57)39-15-7-9-17-51(39)59-53)34-20-24-48-44(28-34)46-30-36-22-26-54-56(40-16-8-10-18-52(40)60-54)42(36)32-50(46)58(48)38-13-5-2-6-14-38;1-43(2)37-17-9-6-14-30(37)33-22-20-27-24-35-31-15-7-11-19-39(31)45(41(35)26-34(27)42(33)43)29-21-23-40-36(25-29)32-16-8-10-18-38(32)44(40)28-12-4-3-5-13-28;1-39(2)33-14-8-5-11-26(33)28-20-18-25(22-35(28)39)41-36-16-10-7-13-29(36)32-21-24-17-19-30-27-12-6-9-15-34(27)40(3,4)38(30)31(24)23-37(32)41;1-31(2)27-14-8-6-12-22(27)24-17-16-20-18-26-23-13-7-9-15-28(23)32(21-10-4-3-5-11-21)29(26)19-25(20)30(24)31/h1-32H;3-26H,1-2H3;5-23H,1-4H3;3-19H,1-2H3.
What are the key properties of 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene has a molecular weight of 2274.84 g/mol, XLogP of 45.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 158220015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).